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4,4-Diacetylheptanedinitrile

4,4-Diacetylheptanedinitrile structure

CAS No:
5324-43-6
Formula:
C11H14N2O2
Chemical Name:
4,4-Diacetylheptanedinitrile
Synonyms:
4,4-Diacetylheptanedinitrile;HEPTANEDINITRILE, 4,4-DIACETYL-;alpha,alpha-Diacetylpimelonitrile;NSC 2690;UNII-X1LM63FW5U;BRN 1783941;X1LM63FW5U;4,4-diacetyl-heptanedinitrile;NSC2690;Heptanedinitrile,4-diacetyl-

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4,4-Diacetylheptanedinitrile Basic Attributes

Molecular Weight：

206.245

Exact Mass：

206.106

UNII：

X1LM63FW5U

NSC Number：

2690

DSSTox ID：

DTXSID60201334

Characteristics

PSA：

81.7

XLogP3：

-0.2

Density：

1.078±0.06 g/cm3(Predicted)

Melting Point：

180-180.4 °C

Computed Properties

Molecular Weight:206.24
XLogP3:-0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:206.105527694
Monoisotopic Mass:206.105527694
Topological Polar Surface Area:81.7
Heavy Atom Count:15
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4-Diacetylheptanedinitrile

Basic Attributes
Characteristics
Computed Properties

4,4-Diacetylheptanedinitrile

SDS

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